REMARK  Name = BDB006668
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.545  -1.874   0.601  0.00  0.00    -0.268 N 
ATOM      2  C   LIG    1       -3.114  -0.644   1.073  0.00  0.00    +0.042 A 
ATOM      3  C   LIG    1       -4.008   0.365   1.686  0.00  0.00    +0.065 C 
ATOM      4  C   LIG    1       -1.766  -0.636   0.810  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -0.534   0.172   0.931  0.00  0.00    +0.146 C 
ATOM      6  N   LIG    1        0.510  -0.760   0.392  0.00  0.00    -0.253 N 
ATOM      7  C   LIG    1       -0.067  -1.992  -0.054  0.00  0.00    +0.272 C 
ATOM      8  O   LIG    1        0.479  -2.961  -0.559  0.00  0.00    -0.268 OA
ATOM      9  C   LIG    1       -1.478  -1.867   0.237  0.00  0.00    +0.153 A 
ATOM     10  N   LIG    1       -2.546  -2.645   0.095  0.00  0.00    -0.166 NA
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        1.873  -0.459   0.376  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        2.806  -1.270  -0.167  0.00  0.00    +0.118 A 
ATOM     13  N   LIG    1        4.148  -0.906  -0.154  0.00  0.00    -0.285 N 
ATOM     14  C   LIG    1        4.618   0.272   0.394  0.00  0.00    +0.164 A 
ATOM     15  N   LIG    1        5.924   0.334   0.253  0.00  0.00    -0.129 NA
ATOM     16  N   LIG    1        6.333  -0.809  -0.394  0.00  0.00    -0.134 NA
ATOM     17  C   LIG    1        3.672   1.165   0.986  0.00  0.00    -0.004 A 
ATOM     18  C   LIG    1        4.089   2.471   1.613  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1        5.268  -1.549  -0.636  0.00  0.00    +0.135 A 
ATOM     20  C   LIG    1        5.246  -2.864  -1.314  0.00  0.00    +0.088 C 
ATOM     21  C   LIG    1        2.367   0.796   0.971  0.00  0.00    +0.032 A 
ENDBRANCH   6  11
BRANCH   5  22
ATOM     22  C   LIG    1       -0.774   1.417   0.095  0.00  0.00    -0.022 A 
ATOM     23  C   LIG    1       -1.071   2.632   0.741  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -1.298   3.798   0.004  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -1.232   3.763  -1.386  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1       -1.514   5.199  -2.290  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1       -0.942   2.573  -2.046  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -0.715   1.407  -1.311  0.00  0.00    +0.007 A 
ENDBRANCH   5  22
BRANCH   1  30
ATOM     29  C   LIG    1       -5.628  -2.073  -0.700  0.00  0.00    +0.029 C 
ATOM     30  C   LIG    1       -4.900  -2.398   0.592  0.00  0.00    +0.140 C 
ENDBRANCH   1  30
TORSDOF 3